4482-83-1
Product Name:
2,2'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one
Formula:
C36H44O12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 668.7 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 13 |
| Exact Mass | 668.28327683 g/mol |
| Monoisotopic Mass | 668.28327683 g/mol |
| Topological Polar Surface Area | 227 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1400 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Filixic acid BBB is a carboxylic ester. It is functionally related to a phloroglucinol.